ChemSpider 2D Image | (4R)-3-(4-[4-(2-Chlorophenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide | C28H33ClN10O4S

(4R)-3-(4-[4-(2-Chlorophenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC28H33ClN10O4S
  • Average mass641.144 Da
  • Monoisotopic mass640.209534 Da
  • ChemSpider ID26325506

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R)-3-(4-[4-(2-Chlorophenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-3-(4-[4-(2-Chlorophényl)-1-pipérazinyl]-6-{[2-méthyl-6-(méthylcarbamoyl)phényl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoéthyl]-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
(4r)-3-(4-[4-(2-Chlorophenyl)piperazin-1-Yl]-6-{[2-Methyl-6-(Methylcarbamoyl)phenyl]amino}-1,3,5-Triazin-2-Yl)-N-[2-(Hydroxyamino)-2-Oxoethyl]-1,3-Thiazolidine-4-Carboxamide
(4R)-3-(4-[4-(2-Chlorphenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, 3-[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-[[2-methyl-6-[(methylamino)carbonyl]phenyl]amino]-1,3,5-triazin-2-yl]-N-[2-(hydroxyamino)-2-oxoethyl]-, (4R)- [ACD/Index Name]
3Li
PDF inhibitor, compound 2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 167.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.56
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 37.54
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.32
ACD/KOC (pH 7.4): 81.28
Polar Surface Area: 193 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 445.3±3.0 cm3

Click to predict properties on the Chemicalize site


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